O3-[(3,4-dichlorophenyl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[(3,4-dichlorophenyl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[(3,4-dichlorophenyl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[(3,4-dichlorophenyl)methyl] ester O1-methyl ester IUPAC Name: 3-O-[(3,4-dichlorophenyl)methyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-(3,4-dichlorobenzyl) ester O1-methyl ester Formula: C16H11Cl2NO6 MolecularWeight: 384.16764

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C16H11Cl2NO6/c1-24-15(20)10-5-11(7-12(6-10)19(22)23)16(21)25-8-9-2-3-13(17)14(18)4-9/h2-7H,8H2,1H3